C598-0657 Screening compound: 9-chloro-N-[3-(3-methylpiperidino)propyl]-5,6,7,8-tetrahydro-3-acridinecarboxamide

C598-0657 Screening compound: 9-chloro-N-[3-(3-methylpiperidino)propyl]-5,6,7,8-tetrahydro-3-acridinecarboxamide
C598-0657 Screening compound: 9-chloro-N-[3-(3-methylpiperidino)propyl]-5,6,7,8-tetrahydro-3-acridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C598-0657
9-chloro-N-[3-(3-methylpiperidino)propyl]-5,6,7,8-tetrahydro-3-acridinecarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C598-0657

Molecular Formula

C23H30ClN3O (C23 H30 ClN3 O)

Compound Name

9-chloro-N-[3-(3-methylpiperidino)propyl]-5,6,7,8-tetrahydro-3-acridinecarboxamide

IUPAC name

9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5678-tetrahydroacridine-3-carboxamide

SMILES

CC1CN(CCCNC(c2ccc3c(Cl)c(CCCC4)c4nc3c2)=O)CCC1

InChI

InChI=1S/C23H30ClN3O/c1-16-6-4-12-27(15-16)13-5-11-25-23(28)17-9-10-19-21(14-17)26-20-8-3-2-7-18(20)22(19)24/h9-10,14,16H,2-8,11-13,15H2,1H3,(H,25,28)/t16-/m0/s1

InChI Key

QKZHGAGOZWJDMO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14774911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-4.94

Polar Surface Area

38.161

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

C598-0657 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer

References: we are preparing a list of scientific research reports with C598-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C598-0657?
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What is the minimum amount of C598-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C598-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C598-0657
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C598-0657 available by request